Geometry & MOs

Info

ID:

414487

PubChem CID:

135087445

Reduced:

ClO2N4C20H23 (1)

Stoich.:

AB2C4D20E23 (1)

Weight, g/mol:

561.258734

ΔHf, kcal/mol:

-46.78

Dipole, Da:

6.43

IP(EA), eV:

 -8.43(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-15-(2,3-dihydro-1-benzofuran-5-carbonyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)NC4=CC(=C(C=C4)OC)Cl

DOS

IR

Vibrations